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Summary Geometry Related PDB entries

W8F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	O	sing	1.43Å	1.36Å
O	C6	sing	1.36Å	1.38Å
C5	C6	doub	1.39Å	1.44Å	Aromatic
C5	C4	sing	1.38Å	1.42Å	Aromatic
C6	C1	sing	1.39Å	1.40Å	Aromatic
N	C8	sing	1.47Å	1.51Å
C4	C8	sing	1.51Å	1.44Å
C4	C3	doub	1.38Å	1.33Å	Aromatic
C1	C	sing	1.51Å	1.48Å
C1	C2	doub	1.38Å	1.40Å	Aromatic
C3	C2	sing	1.38Å	1.42Å	Aromatic
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.08Å	1.08Å
C2	H8	sing	1.08Å	1.08Å
N	H9	sing	1.01Å	1.00Å
N	H10	sing	1.01Å	1.00Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	O	C6	117.7°	117.0°
O	C7	H1	109.5°	109.4°
O	C7	H2	109.4°	109.4°
O	C7	H3	109.4°	109.5°
O	C6	C5	125.1°	120.0°
O	C6	C1	116.2°	120.1°
C6	C5	C4	118.4°	119.9°
C5	C6	C1	118.7°	119.9°
C6	C5	H6	120.8°	120.1°
C5	C4	C8	121.0°	119.9°
C5	C4	C3	123.6°	120.1°
C4	C5	H6	120.8°	120.1°
C6	C1	C	119.1°	120.0°
C6	C1	C2	119.5°	120.0°
N	C8	C4	106.5°	109.5°
N	C8	H4	110.2°	109.5°
N	C8	H5	110.2°	109.4°
C8	N	H9	109.5°	111.0°
C8	N	H10	109.5°	111.0°
C8	C4	C3	115.2°	120.0°
C4	C8	H4	110.2°	109.5°
C4	C8	H5	110.2°	109.5°
C4	C3	C2	117.7°	120.1°
C4	C3	H7	121.2°	120.0°
C	C1	C2	121.2°	120.0°
C1	C	H12	109.5°	109.4°
C1	C	H13	109.5°	109.5°
C1	C	H14	109.4°	109.4°
C1	C2	C3	122.1°	120.0°
C1	C2	H8	119.0°	119.9°
C2	C3	H7	121.1°	119.9°
C3	C2	H8	119.0°	120.0°
H1	C7	H2	109.4°	109.4°
H1	C7	H3	109.5°	109.5°
H2	C7	H3	109.5°	109.5°
H4	C8	H5	109.5°	109.5°
H9	N	H10	109.5°	111.0°
H12	C	H13	109.4°	109.5°
H12	C	H14	109.5°	109.5°
H13	C	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	O	C6	C5	27.7°	0.0°
C7	O	C6	C1	151.2°	180.0°
O	C7	H1	H2	120.0°	119.9°
O	C7	H1	H3	120.0°	120.0°
O	C7	H2	H3	120.0°	120.0°
O	C6	C5	C1	179.0°	180.0°
O	C6	C5	C4	177.8°	180.0°
O	C6	C1	C	7.7°	0.0°
O	C6	C1	C2	177.0°	179.8°
C6	O	C7	H1	180.0°	60.0°
C6	O	C7	H2	60.0°	59.9°
C6	O	C7	H3	60.0°	180.0°
O	C6	C5	H6	2.2°	0.0°
C6	C5	C4	H6	180.0°	180.0°
C6	C5	C4	C8	174.2°	180.0°
C6	C5	C4	C3	1.0°	0.2°
C5	C6	C1	C	173.3°	180.0°
C5	C6	C1	C2	2.1°	0.2°
C4	C5	C6	C1	1.2°	0.0°
C5	C4	C8	N	14.0°	90.0°
C5	C4	C8	C3	175.6°	179.9°
C5	C4	C3	C2	1.6°	0.2°
C5	C4	C8	H4	133.5°	149.9°
C5	C4	C8	H5	105.6°	29.9°
C5	C4	C3	H7	178.4°	180.0°
C6	C1	C	C2	175.3°	179.8°
C6	C1	C2	C3	2.8°	0.2°
C1	C6	C5	H6	178.8°	180.0°
C6	C1	C2	H8	177.2°	179.8°
C6	C1	C	H12	92.3°	89.8°
C6	C1	C	H13	147.7°	30.2°
C6	C1	C	H14	27.7°	150.2°
N	C8	C4	H4	119.5°	120.0°
N	C8	C4	H5	119.6°	119.9°
N	C8	C4	C3	161.6°	89.8°
N	C8	H4	H5	121.4°	119.9°
C8	N	H9	H10	120.0°	123.9°
C8	C4	C3	C2	173.8°	179.9°
C4	C8	H4	H5	121.3°	120.0°
C8	C4	C5	H6	5.8°	0.1°
C8	C4	C3	H7	6.2°	0.1°
C4	C8	N	H9	180.0°	56.1°
C4	C8	N	H10	60.0°	180.0°
C4	C3	C2	C1	2.5°	0.0°
C4	C3	C2	H7	180.0°	179.8°
C3	C4	C8	H4	42.1°	30.2°
C3	C4	C8	H5	78.8°	150.2°
C3	C4	C5	H6	179.0°	179.8°
C4	C3	C2	H8	177.5°	180.0°
C	C1	C2	C3	172.4°	180.0°
C	C1	C2	H8	7.6°	0.1°
C1	C	H12	H13	120.0°	120.0°
C1	C	H12	H14	120.0°	119.9°
C1	C	H13	H14	120.0°	120.0°
C1	C2	C3	H8	180.0°	179.9°
C1	C2	C3	H7	177.5°	179.8°
C2	C1	C	H12	92.5°	90.0°
C2	C1	C	H13	27.5°	150.0°
C2	C1	C	H14	147.5°	29.9°
H1	C7	H2	H3	120.0°	120.1°
H4	C8	N	H9	60.5°	64.0°
H4	C8	N	H10	59.5°	59.9°
H5	C8	N	H9	60.5°	176.1°
H5	C8	N	H10	179.5°	60.1°
H7	C3	C2	H8	2.5°	0.3°
H12	C	H13	H14	120.0°	120.1°

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PDB entries from 2024-08-28

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